ChemSpider 2D Image | dihydrocitrinone | C13H14O6

dihydrocitrinone

  • Molecular FormulaC13H14O6
  • Average mass266.247 Da
  • Monoisotopic mass266.079041 Da
  • ChemSpider ID28566878

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

16051-38-0 [RN]
1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-6,8-dihydroxy-3,4,5-trimethyl-1-oxo- [ACD/Index Name]
3,4-Dihydro-6,8-dihydroxy-3,4,5-trimethyl-1-oxo-1H-2-benzopyran-7-carboxylic acid
6,8-Dihydroxy-3,4,5-trimethyl-1-oxo-3,4-dihydro-1H-isochromen-7-carbonsäure [German] [ACD/IUPAC Name]
6,8-Dihydroxy-3,4,5-trimethyl-1-oxo-3,4-dihydro-1H-isochromene-7-carboxylic acid [ACD/IUPAC Name]
Acide 6,8-dihydroxy-3,4,5-triméthyl-1-oxo-3,4-dihydro-1H-isochromène-7-carboxylique [French] [ACD/IUPAC Name]
dihydrocitrinone
65718-85-6 [RN]
73768-66-8 [RN]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9I8K50016V [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 506.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 196.6±23.6 °C
Index of Refraction: 1.603
Molar Refractivity: 65.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.34
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.34
Polar Surface Area: 104 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 189.5±3.0 cm3

Click to predict properties on the Chemicalize site


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